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71696-92-9 | 6-iodo-1,3,5(10),6-tetraene-3,17 beta-diol
CAS No: 71696-92-9 Catalog No: AG00FT5K MDL No:
Product Description
Catalog Number:
AG00FT5K
Chemical Name:
6-iodo-1,3,5(10),6-tetraene-3,17 beta-diol
CAS Number:
71696-92-9
IUPAC Name:
(8R,9S,13S,14S,17S)-6-iodo-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C18H21IO2/c1-18-7-6-12-11-3-2-10(20)8-14(11)16(19)9-13(12)15(18)4-5-17(18)21/h2-3,8-9,12-13,15,17,20-21H,4-7H2,1H3/t12-,13-,15+,17+,18+/m1/s1
InChI Key:
FMNWCCVGPNFPDR-YVEZLPLXSA-N
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
396.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.268g/mol
Monoisotopic Mass:
396.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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